4-chloro-1-methylpyrazole-5-carboximidamide

C5H7ClN4 — CID 83385908

IUPAC4-chloro-1-methylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cnn1C
InChIInChI=1S/C5H7ClN4/c1-10-4(5(7)8)3(6)2-9-10/h2H,1H3,(H3,7,8)
InChIKeyQABGWEFELGTRTJ-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.36
Rot. Bonds1

About 4-chloro-1-methylpyrazole-5-carboximidamide

4-chloro-1-methylpyrazole-5-carboximidamide (PubChem CID 83385908) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name4-chloro-1-methylpyrazole-5-carboximidamide
PubChem CID83385908
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name4-chloro-1-methylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cnn1C
InChIInChI=1S/C5H7ClN4/c1-10-4(5(7)8)3(6)2-9-10/h2H,1H3,(H3,7,8)
InChIKeyQABGWEFELGTRTJ-UHFFFAOYSA-N
XLogP0.36
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethylpyrazole-5-carboximidamide
CID 83677453
4-chloro-1-ethylpyrazole-5-carboximidamide
CID 83874157
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114669074
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 115809135
5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride
CID 175341928
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114669269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazole-5-carboximidamide?
The IUPAC name of 4-chloro-1-methylpyrazole-5-carboximidamide (CID 83385908) is 4-chloro-1-methylpyrazole-5-carboximidamide.
What is the SMILES notation for 4-chloro-1-methylpyrazole-5-carboximidamide?
The canonical SMILES for 4-chloro-1-methylpyrazole-5-carboximidamide is [H]/N=C(\N)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-1-methylpyrazole-5-carboximidamide?
The InChIKey is QABGWEFELGTRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c1-10-4(5(7)8)3(6)2-9-10/h2H,1H3,(H3,7,8).
What are the key properties of 4-chloro-1-methylpyrazole-5-carboximidamide?
4-chloro-1-methylpyrazole-5-carboximidamide has a molecular weight of 158.59 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazole-5-carboximidamide is sourced from PubChem (CID 83385908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).